YS11
Alexandria ALEXAlex-ID: agm063783771 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB11_100_spg164
YS13 YS8
2025-01-29 11:35:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063783771).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm063783771
data_agm063783771
_cell_length_a 4.42117
_cell_length_b 4.39739
_cell_length_c 16.42588
_cell_angle_alpha 81.45425
_cell_angle_beta 84.32009
_cell_angle_gamma 75.32511
_cell_volume 304.86969
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Y1 Y 0.01848 0.70725 0.58045 1.00000
S1 S 0.07286 0.23772 0.80810 1.00000
S2 S 0.93728 0.86847 0.17955 1.00000
S3 S 0.98258 0.34515 0.00687 1.00000
S4 S 0.00177 0.89795 0.41361 1.00000
S5 S 0.37830 0.66528 0.34577 1.00000
S6 S 0.59227 0.30028 0.63388 1.00000
S7 S 0.79434 0.17294 0.91519 1.00000
S8 S 0.25804 0.98745 0.07674 1.00000
S9 S 0.86474 0.67250 0.75257 1.00000
S10 S 0.18731 0.50417 0.25280 1.00000
S11 S 0.41203 0.14080 0.53447 1.00000
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